N-propyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide

C14H19F3N2O2 — CID 61059305

IUPACN-propyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
SMILESCCCNC(=O)CCNCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-2-8-19-13(20)7-9-18-10-11-3-5-12(6-4-11)21-14(15,16)17/h3-6,18H,2,7-10H2,1H3,(H,19,20)
InChIKeyGXXQBGSKQXCJBR-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.59
Rot. Bonds8

About N-propyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide

N-propyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide (PubChem CID 61059305) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-propyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide.

Molecular Properties

Compound NameN-propyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
PubChem CID61059305
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-propyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
SMILESCCCNC(=O)CCNCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-2-8-19-13(20)7-9-18-10-11-3-5-12(6-4-11)21-14(15,16)17/h3-6,18H,2,7-10H2,1H3,(H,19,20)
InChIKeyGXXQBGSKQXCJBR-UHFFFAOYSA-N
XLogP2.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28586305
N,N-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 60926600
N-propyl-3-[(4-trimethylsilylphenyl)methylamino]propanamide
CID 103437737
4-[[4-(trifluoromethoxy)phenyl]methylamino]butanoic acid
CID 43473381
N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109012203
N-propyl-2-[[N'-[[4-(trifluoromethoxy)phenyl]methyl]carbamimidoyl]amino]acetamide
CID 111597740
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686525
3-butoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115575536
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424
3-[(3,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61061288
3-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119177395

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide?
The IUPAC name of N-propyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide (CID 61059305) is N-propyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide.
What is the SMILES notation for N-propyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide?
The canonical SMILES for N-propyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide is CCCNC(=O)CCNCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-propyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide?
The InChIKey is GXXQBGSKQXCJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-2-8-19-13(20)7-9-18-10-11-3-5-12(6-4-11)21-14(15,16)17/h3-6,18H,2,7-10H2,1H3,(H,19,20).
What are the key properties of N-propyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide?
N-propyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide has a molecular weight of 304.31 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide is sourced from PubChem (CID 61059305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).